ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60190
CHEMBL60190
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O5S

Additional synonyms for CHEMBL60190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC[C@@H]1CCCN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2
Standard InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12 ...
Download InChI
Standard InChI Key SLQMNVJNDYLJSF-VIFPVBQESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL60190

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
324.4 324.078 0.62 4 92.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.66 - 1.21 1.19 1 22 0.82

Structural Alerts

There are 4 structural alerts for CHEMBL60190. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SLQMNVJNDYLJSF-VIFPVBQESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60190



BindingDB 10305
Brenda 86608
eMolecules 29913912
EPA CompTox Dashboard DTXSID50431688
IBM Patent System DDB99941D304A583839397A457DD7C15
Nikkaji J1.319.413K
PubChem 9840223
PubChem: Thomson Pharma 14874894 14801577
SureChEMBL SCHEMBL3681388
ZINC ZINC000003871900

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SLQMNVJNDYLJSF-VIFPVBQESA-N spacer
spacer